Materials Data on RbCeMg14 by Materials Project
RbMg14Ce crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Ce atoms to form RbCe2Mg10 cuboctahedra that share corners with six equivalent RbCe2Mg10 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with two equivalent CeRb2Mg10 cuboctahedra, edges with eight MgRbCeMg10 cuboctahedra, faces with two equivalent CeRb2Mg10 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.33–3.50 Å. Both Rb–Ce bond lengths are 3.32 Å. There are nine inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent RbCe2Mg10 cuboctahedra, corners with six equivalent MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent CeRb2Mg10 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.39 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent CeRb2Mg10 cuboctahedra, corners with six equivalent MgMg12 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, faces with two equivalent RbCe2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.18–3.37 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb, eight Mg, and two equivalent Ce atoms. There are a spread of Mg–Mg bond distances ranging from 3.26–3.47 Å. There are one shorter (3.31 Å) and one longer (3.38 Å) Mg–Ce bond lengths. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent RbCe2Mg10 cuboctahedra, corners with four equivalent CeRb2Mg10 cuboctahedra, corners with six equivalent MgMg12 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.34 Å. In the fifth Mg site, Mg is bonded to one Rb, ten Mg, and one Ce atom to form distorted MgRbCeMg10 cuboctahedra that share corners with fourteen MgRbCeMg10 cuboctahedra, edges with two equivalent RbCe2Mg10 cuboctahedra, edges with two equivalent CeRb2Mg10 cuboctahedra, edges with ten MgMg12 cuboctahedra, a faceface with one RbCe2Mg10 cuboctahedra, a faceface with one CeRb2Mg10 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. The Mg–Ce bond length is 3.44 Å. In the sixth Mg site, Mg is bonded to one Rb, ten Mg, and one Ce atom to form distorted MgRbCeMg10 cuboctahedra that share corners with fourteen MgRbCeMg10 cuboctahedra, edges with two equivalent RbCe2Mg10 cuboctahedra, edges with two equivalent CeRb2Mg10 cuboctahedra, edges with ten MgMg12 cuboctahedra, a faceface with one RbCe2Mg10 cuboctahedra, a faceface with one CeRb2Mg10 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.14–3.47 Å. The Mg–Ce bond length is 3.44 Å. In the seventh Mg site, Mg is bonded to eleven Mg and one Ce atom to form distorted MgCeMg11 cuboctahedra that share corners with fourteen MgRbCeMg10 cuboctahedra, edges with two equivalent CeRb2Mg10 cuboctahedra, edges with ten MgMg12 cuboctahedra, a faceface with one CeRb2Mg10 cuboctahedra, faces with three equivalent RbCe2Mg10 cuboctahedra, and faces with twelve MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.32 Å. The Mg–Ce bond length is 3.38 Å. In the eighth Mg site, Mg is bonded in a 12-coordinate geometry to one Rb and eleven Mg atoms. In the ninth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb, eight Mg, and two equivalent Ce atoms. There are a spread of Mg–Mg bond distances ranging from 3.26–3.47 Å. There are one shorter (3.31 Å) and one longer (3.38 Å) Mg–Ce bond lengths. Ce is bonded to two equivalent Rb and ten Mg atoms to form CeRb2Mg10 cuboctahedra that share corners with six equivalent CeRb2Mg10 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with two equivalent RbCe2Mg10 cuboctahedra, edges with twelve MgRbCeMg10 cuboctahedra, faces with two equivalent RbCe2Mg10 cuboctahedra, and faces with eight MgMg12 cuboctahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1656218
- Report Number(s):
- mp-1026809
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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